ethyl 2-(3-methylcyclohexyl)sulfonylacetate

C11H20O4S — CID 62720621

IUPACethyl 2-(3-methylcyclohexyl)sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)C1CCCC(C)C1
InChIInChI=1S/C11H20O4S/c1-3-15-11(12)8-16(13,14)10-6-4-5-9(2)7-10/h9-10H,3-8H2,1-2H3
InChIKeyCIVLHPNCWBSHKT-UHFFFAOYSA-N
MW248.34 g/mol
LogP1.54
Rot. Bonds4

About ethyl 2-(3-methylcyclohexyl)sulfonylacetate

ethyl 2-(3-methylcyclohexyl)sulfonylacetate (PubChem CID 62720621) has the molecular formula C11H20O4S and a molecular weight of 248.34 g/mol. Its IUPAC name is ethyl 2-(3-methylcyclohexyl)sulfonylacetate.

Molecular Properties

Compound Nameethyl 2-(3-methylcyclohexyl)sulfonylacetate
PubChem CID62720621
Molecular FormulaC11H20O4S
Molecular Weight248.34 g/mol
Exact Mass248.11
IUPAC Nameethyl 2-(3-methylcyclohexyl)sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)C1CCCC(C)C1
InChIInChI=1S/C11H20O4S/c1-3-15-11(12)8-16(13,14)10-6-4-5-9(2)7-10/h9-10H,3-8H2,1-2H3
InChIKeyCIVLHPNCWBSHKT-UHFFFAOYSA-N
XLogP1.54
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-cyclopropylsulfonylacetate
CID 56604727
ethyl 2-(3-methylcyclohexyl)sulfonylbutanoate
CID 64661072
ethyl 2-(2-aminocyclopentyl)sulfonylacetate
CID 64676176
ethyl 3-cyclopentylsulfonylpropanoate
CID 61236159
1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422077
1-amino-3-(3-methylcyclohexyl)sulfonylpropan-2-ol
CID 115476741
bicyclo[2.2.1]heptane;ethane;2-ethoxy-2-oxoethanesulfonate
CID 91589235
ethyl 2-[2-(aminomethyl)cyclohexyl]sulfonylacetate
CID 64696599
1-(2-bromophenyl)-2-(3-methylcyclohexyl)sulfonylethanone
CID 64636006
methyl 2-methyl-3-(3-methylcyclohexyl)sulfonylbutanoate
CID 79392239
2-[1-[(3-methylcyclohexyl)sulfonylmethyl]cyclopropyl]acetic acid
CID 65442326
ethoxymethanethioic S-acid;methylcyclohexane
CID 142164305

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methylcyclohexyl)sulfonylacetate?
The IUPAC name of ethyl 2-(3-methylcyclohexyl)sulfonylacetate (CID 62720621) is ethyl 2-(3-methylcyclohexyl)sulfonylacetate.
What is the SMILES notation for ethyl 2-(3-methylcyclohexyl)sulfonylacetate?
The canonical SMILES for ethyl 2-(3-methylcyclohexyl)sulfonylacetate is CCOC(=O)CS(=O)(=O)C1CCCC(C)C1.
What is the InChIKey of ethyl 2-(3-methylcyclohexyl)sulfonylacetate?
The InChIKey is CIVLHPNCWBSHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4S/c1-3-15-11(12)8-16(13,14)10-6-4-5-9(2)7-10/h9-10H,3-8H2,1-2H3.
What are the key properties of ethyl 2-(3-methylcyclohexyl)sulfonylacetate?
ethyl 2-(3-methylcyclohexyl)sulfonylacetate has a molecular weight of 248.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methylcyclohexyl)sulfonylacetate is sourced from PubChem (CID 62720621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).